3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1-methylpyrazole

C17H15FN2O — CID 22104457

IUPAC3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1-methylpyrazole
SMILESCOc1cccc(-c2cc(-c3ccc(F)cc3)nn2C)c1
InChIInChI=1S/C17H15FN2O/c1-20-17(13-4-3-5-15(10-13)21-2)11-16(19-20)12-6-8-14(18)9-7-12/h3-11H,1-2H3
InChIKeyUZIJHMQODASXBI-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.90
Rot. Bonds3

About 3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1-methylpyrazole

3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1-methylpyrazole (PubChem CID 22104457) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1-methylpyrazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1-methylpyrazole
PubChem CID22104457
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1-methylpyrazole
SMILESCOc1cccc(-c2cc(-c3ccc(F)cc3)nn2C)c1
InChIInChI=1S/C17H15FN2O/c1-20-17(13-4-3-5-15(10-13)21-2)11-16(19-20)12-6-8-14(18)9-7-12/h3-11H,1-2H3
InChIKeyUZIJHMQODASXBI-UHFFFAOYSA-N
XLogP3.90
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-methoxyphenyl)-1,3-dimethylpyrazole
CID 57246578
3-(chloromethyl)-5-(3-methoxyphenyl)-1-methylpyrazole
CID 82129617
[5-(3-methoxyphenyl)-1-methylpyrazol-3-yl]methanethiol
CID 82159157
5-(3-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 46171148
3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 6459125
N-(2-fluorophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 42758735
4-[3-(3-hydroxyphenyl)-1-methylpyrazol-5-yl]-2-methoxyphenol
CID 136801462
5-(4-fluorophenyl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine
CID 61261996
3-bromo-5-(3-methoxyphenyl)-1-methyl-1,2,4-triazole
CID 84712036
4-(1-methyl-5-phenylpyrazol-3-yl)benzonitrile
CID 143438272
(7S)-2-(4-fluorophenyl)-7-[(3-methoxyphenyl)methylamino]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 125128714
[(3R)-3-(4-fluorophenyl)azepan-1-yl]-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]methanone
CID 99883346

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1-methylpyrazole?
The IUPAC name of 3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1-methylpyrazole (CID 22104457) is 3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1-methylpyrazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1-methylpyrazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1-methylpyrazole is COc1cccc(-c2cc(-c3ccc(F)cc3)nn2C)c1.
What is the InChIKey of 3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1-methylpyrazole?
The InChIKey is UZIJHMQODASXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-20-17(13-4-3-5-15(10-13)21-2)11-16(19-20)12-6-8-14(18)9-7-12/h3-11H,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1-methylpyrazole?
3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1-methylpyrazole has a molecular weight of 282.32 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1-methylpyrazole is sourced from PubChem (CID 22104457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).